894751

Source:http://linkedlifedata.com/resource/chembl/compound/894751

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1044182
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H
chemicalCompound:standardIn...	DPANRFFGZNCUSJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCOc1ccc(cc1)C(=O)OC(C)CN2CCCCC2
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	894751
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	3.451
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.559
chemicalCompound:acdLogD	2.833
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	8.037
chemicalCompound:chemblId	CHEMBL1470867
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:994751
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:4286484, activity:4600605, activity:4615856, activity:6699461